SCHEMBL3603329

SCHEMBL3603329

COC(=O)C(C)(C)c1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PABPC1 P11940 1/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2698588 0.86 ALOX15 (0.55) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL11013012 0.85 MAOB (0.47) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL2496975 0.84 ALOX15 (0.56) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL12049554 0.84 HTT (0.50) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL1163248 0.83 HTT (0.50) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL28065794 0.82 NPC1 (0.50) ALOX15HTTNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL3590574 0.82 PABPC1 (0.49) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL2698234 0.78 ALDH1A1 (0.53) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL1329308 0.77 ALDH1A1 (0.55) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL264293 0.76 ALDH1A1 (0.58) ALOX15HTTNPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 — — US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 — — US disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 — — EP disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 — — US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 — — US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 — — WO disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 — — EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET ALOX15 3172/4885HTT 493/4885NPC1 3359/4885
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 ALOX15 2989/4885HTT 4272/4885NPC1 2777/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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